Cas no 666721-41-1 (2-Thiophenecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester)
666721-41-1 structure
Product Name:2-Thiophenecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester
CAS No:666721-41-1
MF:C12H9NO4S
MW:263.269161939621
CID:395994
PubChem ID:11357502
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester
- methyl 4-(4-nitrophenyl)thiophene-2-carboxylate
- VIXQBNBAVDRXAF-UHFFFAOYSA-N
- 666721-41-1
- SCHEMBL6368901
- DTXSID20463471
- methyl 4-(4-nitrophenyl)thiophen-2-carboxylate
-
- Inchi： 1S/C12H9NO4S/c1-17-12(14)11-6-9(7-18-11)8-2-4-10(5-3-8)13(15)16/h2-7H,1H3
- InChI Key： VIXQBNBAVDRXAF-UHFFFAOYSA-N
- SMILES： S1C=C(C=C1C(=O)OC)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 263.02527
- Monoisotopic Mass: 263.02522894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 69.44
2-Thiophenecarboxylic acid, 4-(4-nitrophenyl)-, methyl ester Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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